1G9I

CRYSTAL STRUCTURE OF BETA-TRYSIN COMPLEX IN CYCLOHEXANE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-01-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	62.380, 63.350, 69.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.200
R-factor	0.193
Rwork	0.185
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1smf
RMSD bond length	0.007
RMSD bond angle	26.200 *
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.093	0.217
Number of reflections	12041
<I/σ(I)>	7	2
Completeness [%]	83.2	62.3
Redundancy	3.7	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	24 *	Li, Y., (1994) J.Biochem.(Tokyo), 116, 18. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ammonium sulfate	2 (M)
2	1	drop	phosphate	0.2 (M)
3	1	reservoir	ammonium sulfate	2 (M)
4	1	reservoir	phosphate	0.2 (M)